Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADH1C | P00326 | 1/20 | 0.33 |
| ▸ | ADH1A | P07327 | 1/20 | 0.33 |
| ▸ | ADH4 | P08319 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 2/20 | 0.31 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL20781650 | 0.87 | SPHK1 (0.34) | ADH1CADH1AADH4BCHESPHK1 | |
| SCHEMBL20781658 | 0.87 | SPHK1 (0.34) | ADH1CADH1AADH4BCHESPHK1 | |
| SCHEMBL23844606 | 0.87 | SPHK1 (0.34) | ADH1CADH1AADH4BCHESPHK1 | |
| SCHEMBL24040221 | 0.82 | SPHK1 (0.38) | ADH1CADH1AADH4BCHESPHK1 | |
| SCHEMBL19619621 | 0.82 | SPHK1 (0.38) | ADH1CADH1AADH4BCHESPHK1 | |
| SCHEMBL20094680 | 0.82 | SPHK1 (0.38) | ADH1CADH1AADH4BCHESPHK1 | |
| SCHEMBL19286092 | 0.81 | PLA2G1B (0.31) | BCHE | |
| SCHEMBL23219730 | 0.78 | BCHE (0.37) | BCHESPHK1 | |
| SCHEMBL21440024 | 0.76 | GPR84 (0.34) | SPHK1 | |
| SCHEMBL23733442 | 0.75 | MEN1 (0.36) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9988391-B2 | TBK/IKK inhibitor compounds and uses thereof | MERCK PATENT GMBH (DE) | 2018-06-05 | — | — | US | disclosed |